SCHEMBL22307222

SCHEMBL22307222

Cc1c(Br)cccc1-c1nc2cc(CO)cc(I)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
S1PR1 P21453 1/20 0.30
AMY1A P0DUB6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29473070 1.00 HPGD (0.34) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL22308214 0.88 HPGD (0.36) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL22308215 0.83 EGFR (0.33) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL29473089 0.83 EGFR (0.33) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL22307226 0.81 CDK9 (0.36) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL29473228 0.81 CDK9 (0.36) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL31521803 0.79 MMP2 (0.39) HPGDSMN1; SMN2F2F10PLG
SCHEMBL22307190 0.79 MMP2 (0.39) HPGDSMN1; SMN2F2F10PLG
SCHEMBL29473086 0.79 MMP2 (0.39) HPGDSMN1; SMN2F2F10PLG
SCHEMBL22308221 0.74 EGFR (0.33) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365995-A Immunomodulator, composition and method thereof 贝达药业股份有限公司 2021-09-07 CN disclosed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO disclosed